BDBM16239 2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid::CHEMBL241577::IDD 393::IDD393 (3)::{5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid

SMILES: c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl

InChI Key: InChIKey=VABIMMIJVWNHFI-UHFFFAOYSA-N

Data: 1 IC50  1 Kd  1 ITC

PDB links: 8 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16239   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member B1 (Human)	BDBM16239 (2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	14	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16239 (2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16239

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose reductase (AR) (Human)	BDBM16239 (2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)	GoogleScholar			-10.1	8.81	-18.9	7.40	8	24.9
TBA					Details of this binding reaction